☆ 4.6 Article

Revealing the promotion of carbonyl groups on vacancy stabilized Pt4/nanocarbons for propane dehydrogenation

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Related references

Note: Only part of the references are listed.

Article Chemistry, Physical

Antisintering Pd1 Catalyst for Propane Direct Dehydrogenation with In Situ Active Sites Regeneration Ability

Mi Peng et al.

Summary: Atomically dispersed Pd catalysts supported on annealed nanodiamond exhibit superior activity and stability in propane direct dehydrogenation, with better resistance to coke formation. The high dispersion of Pd species in the catalyst is well-preserved during the reaction, leading to significantly improved performance compared to cluster/particle catalysts at high-reaction temperatures. This work provides deeper insights into designing highly dispersed metal catalysts with in situ regeneration of active sites in high-temperature catalytic reactions.

ACS CATALYSIS (2022)

Add to Collection

Article Chemistry, Physical

In-depth study on propane dehydrogenation over Al2O3-based unconventional catalysts with different crystal phases

Huanling Zhang et al.

Summary: In this study, different crystal phases of Al2O3 were synthesized and characterized. It was found that the phase transformation affected the surface density of active sites, leading to a decrease in propane conversion and an increase in propene selectivity.

MOLECULAR CATALYSIS (2022)

Add to Collection

Article Chemistry, Physical

DFT reveals the support effects in Pd nanoclusters over defect-ridden graphene for the oxidative addition of bromobenzene

K. S. S. V. Prasad Reddy et al.

Summary: In this study, the activity of small Pd-n clusters immobilized on graphene supports for the oxidative addition of bromobenzene was investigated. The results showed that defected graphene supports act as charge donors, significantly reducing the activation barriers of oxidative addition and making them potential heterogeneous catalysts for cross-coupling reactions.

MOLECULAR CATALYSIS (2022)

Add to Collection

Article Chemistry, Physical

A critical evaluation of the catalytic role of CO2 in propane dehydrogenation catalyzed by chromium oxide from a DFT-based microkinetic simulation

ShuaiKe Zhi et al.

Summary: This study elucidates the role of CO2 in propane dehydrogenation by using DFT-based microkinetic simulation. It is found that CO2 can directly abstract hydrogen from propane and propyl, and also actively participate in the removal of surface hydroxyls as CO* and O* species. These mechanisms significantly increase the rates of propane conversion and propene formation.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Add to Collection

Article Chemistry, Physical

Revealing the role of HBr in propane dehydrogenation on CeO2(111) via DFT-based microkinetic simulation

Faheem Jan et al.

Summary: This study reveals the influence of HBr on the reaction pathway and performance of propane dehydrogenation catalyzed by CeO2 through DFT-based microkinetic simulations. HBr enhances the adsorption of propane and reduces the activation energy of C-H bond in propane. Moreover, the reactivity of surface hydroxyl for C-H bond activation is significantly increased in the presence of HBr.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Catalytic Property and Stability of Subnanometer Pt Cluster on Carbon Nanotube in Direct Propane Dehydrogenation

Xiaoying Sun et al.

Summary: This study investigates the catalytic properties of supported subnanometer platinum cluster on carbon nanotube support using first principles calculations. The interface between metal and support and tin promoter are found to be helpful in inhibiting deep dehydrogenation reactions. The results provide important insights for the development of new dehydrogenation catalysts.

CHINESE JOURNAL OF CHEMISTRY (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Propane Dehydrogenation on Single-Site [PtZn4] Intermetallic Catalysts

Sai Chen et al.

Summary: The single-site [PtZn4] catalyst developed in this study exhibits high selectivity and ultra-stability, achieving over 95% propylene selectivity in a high temperature range, with no obvious deactivation observed during long-term testing. The surface [PtZn4] ensembles in PtZn IMAs serve as key active site structures, promoting the C-H cleavage of propane while inhibiting further dehydrogenation of surface-bounded propylene, thereby improving selectivity and stability.

CHEM (2021)

Add to Collection

Article Chemistry, Physical

Efficient Non-Precious Metal Catalyst for Propane Dehydrogenation: Atomically Dispersed Cobalt-nitrogen Compounds on Carbon Nanotubes

Tianlong Cao et al.

Summary: A hybrid catalyst composed of atomically dispersed cobalt-nitrogen compounds anchored on oxidized carbon nanotubes (OCNTs) was prepared and used in propane dehydrogenation (PDH) reactions, showing high initial conversion and excellent selectivity. Characterization and control experiments revealed that the catalytic activity mainly comes from the cobalt-nitrogen species supported on the OCNT surface, shedding light on the structure-function relationships of CoN catalysts and paving the way for the development of non-precious catalysts for PDH reactions.

CHEMCATCHEM (2021)

Add to Collection

Article Chemistry, Physical

Impact of Heteroatom Speciation on the Activity and Stability of Carbon-Based Catalysts for Propane Dehydrogenation

Simon Buchele et al.

Summary: The study focuses on different porous properties, heteroatom types, contents, and specifications in polyaniline-derived and activated carbon platforms. The main functionality governing activity is carbonyl groups, and the main deactivation path is oxygen loss via propane-driven water evolution. Carbon catalysts derived from KOH-post-treated polyanilines show significantly enhanced stability compared to others, highlighting the importance of controlling nanostructure for longevity.

CHEMCATCHEM (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Effects of Oxygen Vacancy and Pt Doping on the Catalytic Performance of CeO2 in Propane Dehydrogenation: A First-Principles Study

Muhammad Zeeshan et al.

Summary: The catalytic properties of CeO2 catalyst for propane dehydrogenation were studied using density functional theory calculations, revealing a considerable Lewis acid-base interaction on the defective surfaces that enhances bond formation between adsorbates and the catalyst surface, resulting in increased surface reactivity.

CHINESE JOURNAL OF CHEMISTRY (2021)

Add to Collection

Article Multidisciplinary Sciences

Regulating coordination number in atomically dispersed Pt species on defect-rich graphene for n-butane dehydrogenation reaction

Xiaowen Chen et al.

Summary: By introducing atomically dispersed Sn promoters, fully exposed Pt-3 clusters were successfully fabricated on defective nanodiamond@graphene, showing higher conversion and remarkable alkene selectivity in n-butane direct dehydrogenation reaction compared to typical Pt NP and Pt SA catalysts. The study correlated dehydrogenation activity with the average coordination number of Pt-Pt bond, providing insights into the structure effects on the reaction at the atomic level.

NATURE COMMUNICATIONS (2021)

Add to Collection

Article Chemistry, Physical

Atomic Design and Fine-Tuning of Subnanometric Pt Catalysts to Tame Hydrogen Generation

Jie Yang et al.

Summary: In this study, atomic-level precise synthesis of Pt/graphene subnanocatalysts was achieved by a high-temperature pulsed ozone strategy, resulting in uniformity, controllability, and stability. Pt dimers exhibited higher catalytic activity and better durability compared to single atoms and nanoparticles, attributed to the active site structure of C-Pt-Pt-O.

ACS CATALYSIS (2021)

Add to Collection

Article Multidisciplinary Sciences

First-principles design of a single-atom-alloy propane dehydrogenation catalyst

Ryan T. Hannagan et al.

Summary: The well-defined nature of single-atom-alloy catalysts allows for unambiguous theoretical modeling and precise surface science experiments, leading to the design of highly active, selective, and coke-resistant catalysts for low-temperature nonoxidative propane dehydrogenation.

SCIENCE (2021)

Add to Collection

Article Chemistry, Physical

Tailoring the catalytic performance of single platinum anchored on graphene by vacancy engineering for propane dehydrogenation: a theoretical study

Ziwei Zhai et al.

Summary: Propane dehydrogenation (PDH) is an effective method for producing propylene. Downsizing Pt species to single atom catalysts (SACs) has gained attention due to their maximum utilization and excellent catalytic behavior. Anchoring single Pt atoms on graphene with different types of vacancies can tailor the catalytic performance in PDH, with larger vacancies leading to decreased catalytic activity but improved selectivity to propylene. This research demonstrates the possibility of purposeful SAC design in PDH by utilizing vacancies in carbon materials to disturb the geometric structure.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Add to Collection

Article Nanoscience & Nanotechnology

Surface Hexagonal Pt1Sn1 Intermetallic on Pt Nanoparticles for Selective Propane Dehydrogenation

Chenliang Ye et al.

ACS APPLIED MATERIALS & INTERFACES (2020)

Add to Collection

Article Chemistry, Physical

Revealing the origin of the reactivity of metal-free boron nitride catalysts in oxidative dehydrogenation of propane

Chaowei Si et al.

APPLIED SURFACE SCIENCE (2020)

Add to Collection

Article Chemistry, Physical

Size Dependence of Pt Catalysts for Propane Dehydrogenation: from Atomically Dispersed to Nanoparticles

Wei Zhang et al.

ACS CATALYSIS (2020)

Add to Collection

Article Engineering, Environmental

Improved selectivity and coke resistance of core-shell alloy catalysts for propane dehydrogenation from first principles and microkinetic analysis

Ling Xiao et al.

CHEMICAL ENGINEERING JOURNAL (2019)

Add to Collection

Article Chemistry, Physical

Theoretical Investigation of On-Purpose Propane Dehydrogenation over the Two-Dimensional Ru-Pc Framework

Kaifeng Niu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Add to Collection

Article Chemistry, Physical

Tin-Assisted Fully Exposed Platinum Clusters Stabilized on Defect-Rich Graphene for Dehydrogenation Reaction

Jiayun Zhang et al.

ACS CATALYSIS (2019)

Add to Collection

Article Chemistry, Physical

The stability and reactivity of transition metal atoms supported mono and di vacancies defected carbon based materials revealed from first principles study

Sajjad Ali et al.

APPLIED SURFACE SCIENCE (2019)

Add to Collection

Article Chemistry, Physical

Defect-driven unique stability of Pt/carbon nanotubes for propane dehydrogenation

Jie Liu et al.

APPLIED SURFACE SCIENCE (2019)

Add to Collection

Article Chemistry, Physical

O2 Activation and Oxidative Dehydrogenation of Propane on Hexagonal Boron Nitride: Mechanism Revisited

Hongping Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Add to Collection

Article Chemistry, Multidisciplinary

Platinum single-atom adsorption on graphene: a density functional theory study

Sasfan Arman Wella et al.

NANOSCALE ADVANCES (2019)

Add to Collection

Article Chemistry, Physical

Direct dehydrogenation of propane to propylene on surface-oxidized multiwall carbon nanotubes

Zhong-Pan Hu et al.

APPLIED CATALYSIS A-GENERAL (2018)

Add to Collection

Article Chemistry, Physical

Nanodiamond-Core-Reinforced, Graphene-Shell-Immobilized Platinum Nanoparticles as a Highly Active Catalyst for the Low-Temperature Dehydrogenation of n-Butane

Jiayun Zhang et al.

CHEMCATCHEM (2018)

Add to Collection

Article Chemistry, Physical

Tunable Catalytic Performance of Single Pt Atom on Doped Graphene in Direct Dehydrogenation of Propane by Rational Doping: A Density Functional Theory Study

XiaoYing Sun et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Add to Collection

Article Chemistry, Multidisciplinary

Identification of Pt-based catalysts for propane dehydrogenation via a probability analysis

Shenjun Zha et al.

CHEMICAL SCIENCE (2018)

Add to Collection

Article Chemistry, Physical

Tuning the Electronic Properties of Single-Atom Pt Catalysts by Functionalization of the Carbon Support Material

Mehdi Mahmoodinia et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Add to Collection

Article Multidisciplinary Sciences

Bottom-up precise synthesis of stable platinum dimers on graphene

Huan Yan et al.

NATURE COMMUNICATIONS (2017)

Add to Collection

Article Chemistry, Physical

Origin of the Robust Catalytic Performance of Nanodiamond Graphene-Supported Pt Nanoparticles Used in the Propane Dehydrogenation Reaction

Jie Liu et al.

ACS CATALYSIS (2017)

Add to Collection

Article Chemistry, Physical

Insights into the carbon catalyzed direct dehydrogenation of isobutane by employing modified OMCs

Zhongshen Zhang et al.

CATALYSIS SCIENCE & TECHNOLOGY (2016)

Add to Collection

Article Chemistry, Physical

Effect of graphene with nanopores on metal clusters

Hu Zhou et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Add to Collection

Article Chemistry, Multidisciplinary

Revealing the nature of the active site on the carbon catalyst for C-H bond activation

XiaoYing Sun et al.

CHEMICAL COMMUNICATIONS (2014)

Add to Collection

Article Chemistry, Multidisciplinary

Hybrid Nanocarbon as a Catalyst for Direct Dehydrogenation of Propane: Formation of an Active and Selective Core-Shell sp2/sp3 Nanocomposite Structure

Rui Wang et al.

CHEMISTRY-A EUROPEAN JOURNAL (2014)

Add to Collection

Article Chemistry, Physical

Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes

Andreas W. Hauser et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)

Add to Collection

Article Chemistry, Physical

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Add to Collection

Article Physics, Multidisciplinary

Two-Step Mechanism for Low-Temperature Oxidation of Vacancies in Graphene

Johan M. Carlsson et al.

PHYSICAL REVIEW LETTERS (2009)

Add to Collection

Article Chemistry, Physical

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

G Henkelman et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Add to Collection

© Peeref 2019-2024. All rights reserved.